Geometry & MOs

Info

ID:	342306
PubChem CID:	127265083
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	331.119988
ΔH_f, kcal/mol:	64.97
Dipole, Da:	5.72
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations